8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-methyl-7-[2-(phenylthio)ethyl]purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-7-(2-phenylsulfanylethyl)purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-methyl-7-[2-(phenylthio)ethyl]xanthine Formula: C25H27ClN6O2S MolecularWeight: 511.03888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=CC=CC=C5)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3CCSC5=CC=CC=C5)C(=O)NC(=O)N4C

InChI

InChI=1S/C25H27ClN6O2S/c1-17-8-9-18(26)16-20(17)30-10-12-31(13-11-30)24-27-22-21(23(33)28-25(34)29(22)2)32(24)14-15-35-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,28,33,34)